Atomistic simulation of defect-dislocation interactions in concentrated solid-solution alloys

Shijun Zhao, Yuri Osetsky, Yanwen Zhang

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8 Scopus citations

Abstract

The interaction between point defects and dislocations plays a crucial role in governing material properties and microstructural evolutions under external stimuli, such as mechanical deformation and irradiation. Here, we present an atomistic study of the interactions between point defects and dislocations in concentrated solid-solution alloys (CSAs). Using molecular statics and kinetic Monte Carlo methods, we demonstrate that the strain energy and stress field distribution induced by a dislocation in CSAs are highly inhomogeneous along the dislocation line, which leads to heterogeneity of defect-dislocation interactions. Specifically, the interactions are spatially different and screened by the random arrangement of different elemental species. Such localization of defect-dislocation interaction indicates that the "dislocation-bias" mechanism that is a driving force for radiation-induced void swelling can be suppressed in concentrated alloys.

Original languageEnglish
Article number103602
JournalPhysical Review Materials
Volume3
Issue number10
DOIs
StatePublished - Oct 8 2019

Funding

This work was supported as part of the Energy Dissipation to Defect Evolution (EDDE), an Energy Frontier Research Center (EFRC) funded by the US Department of Energy, Office of Science, Basic Energy Sciences under Contract No. DE-AC05-00OR22725. S.Z. is grateful for the financial support from City University of Hong Kong (Grant No. 9610425), Research Grants Council of Hong Kong (Project No. 9048160 (CityU 21200919)), and National Natural Science Foundation of China (Grant No. 11975193).

FundersFunder number
EFRC
Energy Frontier Research Center
Research Grants Council of Hong Kong9048160
US Department of Energy
Office of Science
Basic Energy Sciences
City University of Hong Kong21200919, 9610425
National Natural Science Foundation of China11975193

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